LMPK12113071
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    5.8709    6.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8709    6.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5487    5.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2266    6.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2266    6.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5487    7.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9044    5.7828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5823    6.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5823    6.9568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9044    7.3482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9044    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2601    7.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9511    6.9492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6419    7.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6419    8.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9511    8.5447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2601    8.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2601    5.7828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5487    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5487    8.1308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.3482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9511    9.3273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8216    9.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5823    8.5372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5823    9.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  8 18  1  0  0  0  0
  3 19  1  0  0  0  0
  6 20  1  0  0  0  0
 16 23  1  0  0  0  0
 17 25  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113071

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3,5,8-Trihydroxy-7,2'3'-trimethoxyflavone

> <FORMULA>
C18H16O8

> <MASS>
360.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QKHJALDYMOGGGX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O8/c1-23-10-6-4-5-8(16(10)25-3)17-15(22)14(21)12-9(19)7-11(24-2)13(20)18(12)26-17/h4-7,19-20,22H,1-3H3

> <SMILES>
C1(OC)=C(O)C2OC(C3C(OC)=C(OC)C=CC=3)=C(O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259904

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$